SCHEMBL1474932

SCHEMBL1474932

CN1CCC(c2ncc(-c3ccc(C(=O)O)cc3)s2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.48
MKNK1 Q9BUB5 2/20 0.46
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
CSNK2A2 P19784 1/20 0.41
RARA P10276 3/20 0.40
IKBKB O14920 2/20 0.40
CHEK1 O14757 2/20 0.39
TRPV1 Q8NER1 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MLYCD O95822 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
KDM2B Q8NHM5 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1480507 0.76 KDM4E (0.50) CSNK2A1CHEK1
SCHEMBL25609256 0.74 MKNK1 (0.81) CSNK2A1MKNK1CSNK2A2
SCHEMBL25609536 0.74 MKNK1 (0.49) CSNK2A1MKNK1RARBRARGCSNK2A2
SCHEMBL21774262 0.74 CSNK2A1 (0.43) CSNK2A1RARBRARGHRH3PDE4D
SCHEMBL12632280 0.73 PRKAB2 (0.49)
SCHEMBL8249743 0.73 CHEK1 (0.53) CSNK2A1MKNK1RARBRARGCSNK2A2
SCHEMBL24188232 0.70 LIMK1 (0.41) MKNK1
SCHEMBL21774151 0.69 CSNK2A1 (0.41) CSNK2A1RARBRARGRARAIKBKB
SCHEMBL12632281 0.69 KMO (0.59) MLYCD
SCHEMBL10039295 0.69 CSNK2A1 (0.66) CSNK2A1RARBRARGCSNK2A2RARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
EP-1701960-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK CSNK2A1 123/4885MKNK1 1765/4885RARB 1001/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK CSNK2A1 178/4885MKNK1 1960/4885RARB 1091/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.